3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-amine

C14H26ClN3O2 — CID 79496363

IUPAC3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-amine
SMILESCCOC(OCC)C(N)Cc1c(Cl)c(CC)nn1CC
InChIInChI=1S/C14H26ClN3O2/c1-5-11-13(15)12(18(6-2)17-11)9-10(16)14(19-7-3)20-8-4/h10,14H,5-9,16H2,1-4H3
InChIKeyOBISZWJDKNWATB-UHFFFAOYSA-N
MW303.83 g/mol
LogP2.39
Rot. Bonds9

About 3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-amine

3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-amine (PubChem CID 79496363) has the molecular formula C14H26ClN3O2 and a molecular weight of 303.83 g/mol. Its IUPAC name is 3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-amine.

Molecular Properties

Compound Name3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-amine
PubChem CID79496363
Molecular FormulaC14H26ClN3O2
Molecular Weight303.83 g/mol
Exact Mass303.17
IUPAC Name3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-amine
SMILESCCOC(OCC)C(N)Cc1c(Cl)c(CC)nn1CC
InChIInChI=1S/C14H26ClN3O2/c1-5-11-13(15)12(18(6-2)17-11)9-10(16)14(19-7-3)20-8-4/h10,14H,5-9,16H2,1-4H3
InChIKeyOBISZWJDKNWATB-UHFFFAOYSA-N
XLogP2.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-diethoxypropan-2-amine
CID 79495382
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-methoxybutan-2-amine
CID 79616081
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-methylsulfonylbutan-2-amine
CID 105001433
[3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-dimethoxypropan-2-yl]hydrazine
CID 105246172
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3,5-dichlorophenyl)ethanamine
CID 105001430
1-(7-bicyclo[4.1.0]heptanyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine
CID 105001490
3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-methylpropan-2-amine
CID 79492035
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79062885
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(thiolan-3-yl)ethanamine
CID 105161533
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxyhexan-2-amine
CID 116717592
[1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105214340
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148099

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-amine?
The IUPAC name of 3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-amine (CID 79496363) is 3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-amine.
What is the SMILES notation for 3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-amine?
The canonical SMILES for 3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-amine is CCOC(OCC)C(N)Cc1c(Cl)c(CC)nn1CC.
What is the InChIKey of 3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-amine?
The InChIKey is OBISZWJDKNWATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN3O2/c1-5-11-13(15)12(18(6-2)17-11)9-10(16)14(19-7-3)20-8-4/h10,14H,5-9,16H2,1-4H3.
What are the key properties of 3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-amine?
3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-amine has a molecular weight of 303.83 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-amine is sourced from PubChem (CID 79496363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).